Pentosan

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  • Identifiers

    CAS number
    37319-17-8

    Molecular formula
    C29H38Na10O50S9

    SMILES
    COC1COC(C(C1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC2COC(C(C2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC3COC(C(C3OS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC5COC(C(C5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

  • Odor profile

    Fragrance
    Odorless 88.45%
    Savory 18.97%
    Cooked 15.51%
    Clean 13.17%
    Sulfurous 11.01%
    Roasted 10.63%
    Meaty 10.46%
    Cooling 10.41%
    Alcoholic 9.93%
    Pungent 9.48%

     

    Flavor
    Bitter 92.05%
    Bland 28.39%
    Odorless 27.57%
    Sweet-like 19.44%
    Nitrile 18.75%
    Cedarleaf 18.49%
    Taco 17.42%
    Rotten 17.27%
    Formyl 17.24%
    Roasted peanuts 17.23%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    -19.83 (strong acid)

    Molecular weight
    1705.1 g/mol

    Flash point

    • 469.63 ˚C est.

  • Synonyms

    • Elmiron
    • Pentosan
    • 37319-17-8
    • 140207-93-8
    • decasodium;3-methoxy-6-[2-(6-methoxy-4,5-disulfonatooxyoxan-3-yl)oxy-5-[5-(5-methoxy-3,4-disulfonatooxyoxan-2-yl)oxy-3,4-disulfonatooxyoxan-2-yl]oxy-4-sulfonatooxyoxan-3-yl]oxy-4,5-disulfonatooxyoxane-2-carboxylate
    • MSJQCBORNZDNDU-UHFFFAOYSA-D
    • DA-76715

  • Applications

    Pentosan (CAS 37319-17-8) is a plant-derived polysaccharide often evaluated as a rheology modifier and thickener, may be considered as an excipient and binder in pharmaceuticals, a stabilizer in cosmetics and personal care products, a viscosity-building component in household cleaners, and a film-forming or additive ingredient in coatings, inks, and polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.13
    methanol 5.76
    isopropanol 1.04
    water 0.61
    ethyl acetate 5.42
    n-propanol 1.35
    acetone 10.93
    n-butanol 0.73
    acetonitrile 5.68
    DMF 68.02
    toluene 0.63
    isobutanol 0.63
    1,4-dioxane 10.25
    methyl acetate 11.04
    THF 12.49
    2-butanone 6.63
    n-pentanol 0.38
    sec-butanol 0.83
    n-hexane 0.02
    ethylene glycol 3.34
    NMP 99.59
    cyclohexane 0.1
    DMSO 44.07
    n-butyl acetate 2.46
    n-octanol 0.65
    chloroform 5.91
    n-propyl acetate 2.33
    acetic acid 15.62
    dichloromethane 7.61
    cyclohexanone 7.14
    propylene glycol 2.3
    isopropyl acetate 2.3
    DMAc 86.26
    2-ethoxyethanol 6.42
    isopentanol 0.4
    n-heptane 0.05
    ethyl formate 7.74
    1,2-dichloroethane 3.97
    n-hexanol 0.36
    2-methoxyethanol 18.14
    isobutyl acetate 0.65
    tetrachloromethane 0.7
    n-pentyl acetate 2.23
    transcutol 13.65
    n-heptanol 0.54
    ethylbenzene 0.18
    MIBK 1.05
    2-propoxyethanol 6.17
    tert-butanol 0.85
    MTBE 0.8
    2-butoxyethanol 4.78
    propionic acid 6.67
    o-xylene 0.5
    formic acid 22.92
    diethyl ether 1.4
    m-xylene 0.29
    p-xylene 0.28
    chlorobenzene 0.89
    dimethyl carbonate 15.73
    n-octane 0.03
    formamide 38.32
    cyclopentanone 16.7
    2-pentanone 3.34
    anisole 1.09
    cyclopentyl methyl ether 2.25
    gamma-butyrolactone 33.09
    1-methoxy-2-propanol 8.06
    pyridine 8.53
    3-pentanone 3.6
    furfural 31.08
    n-dodecane 0.03
    diethylene glycol 8.41
    diisopropyl ether 0.22
    tert-amyl alcohol 0.78
    acetylacetone 10.08
    n-hexadecane 0.04
    acetophenone 2.49
    methyl propionate 8.64
    isopentyl acetate 1.27
    trichloroethylene 10.8
    n-nonanol 0.65
    cyclohexanol 0.74
    benzyl alcohol 1.23
    2-ethylhexanol 0.24
    isooctanol 0.31
    dipropyl ether 0.86
    1,2-dichlorobenzene 1.06
    ethyl lactate 3.46
    propylene carbonate 11.81
    n-methylformamide 27.88
    2-pentanol 0.38
    n-pentane 0.04
    1-propoxy-2-propanol 4.02
    1-methoxy-2-propyl acetate 5.54
    2-(2-methoxypropoxy) propanol 5.82
    mesitylene 0.17
    ε-caprolactone 8.44
    p-cymene 0.23
    epichlorohydrin 16.51
    1,1,1-trichloroethane 1.87
    2-aminoethanol 3.39
    morpholine-4-carbaldehyde 59.04
    sulfolane 45.91
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.01
    n-hexyl acetate 2.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.2
    sec-butyl acetate 1.02
    tert-butyl acetate 1.76
    decalin 0.02
    glycerin 8.85
    diglyme 18.21
    acrylic acid 11.72
    isopropyl myristate 0.67
    n-butyric acid 4.07
    acetyl acetate 6.5
    di(2-ethylhexyl) phthalate 1.27
    ethyl propionate 2.65
    nitromethane 60.8
    1,2-diethoxyethane 3.2
    benzonitrile 1.71
    trioctyl phosphate 0.82
    1-bromopropane 0.75
    gamma-valerolactone 37.55
    n-decanol 0.46
    triethyl phosphate 1.67
    4-methyl-2-pentanol 0.16
    propionitrile 2.39
    vinylene carbonate 13.21
    1,1,2-trichlorotrifluoroethane 30.23
    DMS 6.46
    cumene 0.11
    2-octanol 0.33
    2-hexanone 1.44
    octyl acetate 1.36
    limonene 0.34
    1,2-dimethoxyethane 12.06
    ethyl orthosilicate 1.21
    tributyl phosphate 0.97
    diacetone alcohol 3.43
    N,N-dimethylaniline 0.9
    acrylonitrile 6.12
    aniline 1.66
    1,3-propanediol 3.64
    bromobenzene 0.76
    dibromomethane 2.41
    1,1,2,2-tetrachloroethane 7.67
    2-methyl-cyclohexyl acetate 1.18
    tetrabutyl urea 2.3
    diisobutyl methanol 0.14
    2-phenylethanol 1.11
    styrene 0.27
    dioctyl adipate 1.74
    dimethyl sulfate 37.89
    ethyl butyrate 2.03
    methyl lactate 11.94
    butyl lactate 3.16
    diethyl carbonate 2.1
    propanediol butyl ether 3.46
    triethyl orthoformate 2.04
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 3.84
    morpholine 10.8
    tert-butylamine 0.29
    n-dodecanol 0.32
    dimethoxymethane 19.7
    ethylene carbonate 8.78
    cyrene 6.95
    2-ethoxyethyl acetate 6.56
    2-ethylhexyl acetate 1.04
    1,2,4-trichlorobenzene 2.21
    4-methylpyridine 4.62
    dibutyl ether 0.65
    2,6-dimethyl-4-heptanol 0.14
    DEF 10.71
    dimethyl isosorbide 9.6
    tetrachloroethylene 5.18
    eugenol 3.57
    triacetin 7.24
    span 80 3.22
    1,4-butanediol 1.26
    1,1-dichloroethane 1.99
    2-methyl-1-pentanol 0.24
    methyl formate 27.85
    2-methyl-1-butanol 0.49
    n-decane 0.06
    butyronitrile 1.33
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.27
    1-chlorotetradecane 0.11
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 1.77
    tetrahydropyran 2.66
    tert-amyl methyl ether 0.78
    2,5,8-trioxanonane 12.04
    1-hexene 0.08
    2-isopropoxyethanol 2.73
    2,2,2-trifluoroethanol 18.97
    methyl butyrate 3.42

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction